Predicting bioconcentration of chemicals into vegetation from soil or air using the molecular connectivity index
- Univ. of California, Davis, CA (United States)
Bioconcentration factors (BCFs) are the ratio of chemical concentration found in an exposed organism (in this case a plant) to the concentration in an air or soil exposure medium. The authors examine here the use of molecular connectivity indices (MCIs) as quantitative structure-activity relationships (QSARS) for predicting BCFs for organic chemicals between plants and air or soil. The authors compare the reliability of the octanol-air partition coefficient (K{sub oa}) to the MC based prediction method for predicting plant/air partition coefficients. The authors also compare the reliability of the octanol/water partition coefficient (K{sub ow}) to the MC based prediction method for predicting plant/soil partition coefficients. The results here indicate that, relative to the use of K{sub ow} or K{sub oa} as predictors of BCFs the MC can substantially increase the reliability with which BCFs can be estimated. The authors find that the MC provides a relatively precise and accurate method for predicting the potential biotransfer of a chemical from environmental media into plants. In addition, the MC is much faster and more cost effective than direct measurements.
- OSTI ID:
- 197561
- Report Number(s):
- CONF-9511137-; ISBN 1-880611-03-1; TRN: IM9612%%335
- Resource Relation:
- Conference: 2. Society of Environmental Toxicology and Chemistry (SETAC) world conference, Vancouver (Canada), 5-9 Nov 1995; Other Information: PBD: 1995; Related Information: Is Part Of Second SETAC world congress (16. annual meeting): Abstract book. Global environmental protection: Science, politics, and common sense; PB: 378 p.
- Country of Publication:
- United States
- Language:
- English
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